1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one

C13H22N2O — CID 142077620

IUPAC1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one
SMILESCC1=CC=CCC1.CN1C(=O)CNC1(C)C
InChIInChI=1S/C7H10.C6H12N2O/c1-7-5-3-2-4-6-7;1-6(2)7-4-5(9)8(6)3/h2-3,5H,4,6H2,1H3;7H,4H2,1-3H3
InChIKeyZAZXYPSCMDIIBV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.07
Rot. Bonds

About 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one

1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one (PubChem CID 142077620) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one.

Molecular Properties

Compound Name1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one
PubChem CID142077620
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one
SMILESCC1=CC=CCC1.CN1C(=O)CNC1(C)C
InChIInChI=1S/C7H10.C6H12N2O/c1-7-5-3-2-4-6-7;1-6(2)7-4-5(9)8(6)3/h2-3,5H,4,6H2,1H3;7H,4H2,1-3H3
InChIKeyZAZXYPSCMDIIBV-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-8-prop-2-enyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 10559582
N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide
CID 89090857
7-[(3E,5Z)-4-but-3-enyl-3-methylocta-3,5-dienyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione
CID 89097610
7-[(E)-3-[(Z)-but-1-enyl]-4-methyloct-3-enyl]-2,5,8,8a-tetrahydro-1H-imidazo[1,2-a]pyrazine-3,6-dione
CID 89097624
3-(4-Methylcyclohexa-2,4-dien-1-yl)imidazolidine-2,4-dione
CID 89282776
(Z)-4-methylidenehept-2-ene;2-oxoimidazolidine-4-carboxamide
CID 143593265
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1,4-diazaspiro[4.5]decan-3-one
CID 144022988
4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 145701256
N-[1-(3-butyl-2,4-dioxoimidazolidin-1-yl)cyclohexa-2,4-dien-1-yl]acetamide
CID 152217992
4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 154688297
3-[(2E)-4-methylpenta-2,4-dienyl]imidazolidin-4-one
CID 166796228
2-(2-methylimidazolidin-1-yl)-N-[(E)-pent-2-enyl]acetamide
CID 178011261

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one?
The IUPAC name of 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one (CID 142077620) is 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one.
What is the SMILES notation for 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one?
The canonical SMILES for 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one is CC1=CC=CCC1.CN1C(=O)CNC1(C)C.
What is the InChIKey of 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one?
The InChIKey is ZAZXYPSCMDIIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C6H12N2O/c1-7-5-3-2-4-6-7;1-6(2)7-4-5(9)8(6)3/h2-3,5H,4,6H2,1H3;7H,4H2,1-3H3.
What are the key properties of 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one?
1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one has a molecular weight of 222.33 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-1,3-diene;2,2,3-trimethylimidazolidin-4-one is sourced from PubChem (CID 142077620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).